SCHEMBL7401786

SCHEMBL7401786

CC(c1ccccc1)C(Oc1ccc(N2CCN(c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ROCK2 O75116 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY2R P49146 1/20 0.41
ADRB1 P08588 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7402992 0.90 ITGB3 (0.50) ITGB3ITGA2BROCK2ALDH1A1GAA
SCHEMBL7395120 0.86 ITGB3 (0.58) ITGB3ITGA2BROCK2ALDH1A1GAA
SCHEMBL7392234 0.83 ITGB3 (0.54) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7398345 0.83 ITGB3 (0.53) ITGB3ITGA2BROCK2ALDH1A1GAA
SCHEMBL8899773 0.79 ITGB3 (0.60) ITGB3ITGA2BROCK2ALDH1A1GAA
SCHEMBL8899785 0.77 ITGB3 (0.64) ITGB3ITGA2BROCK2ALDH1A1GAA
SCHEMBL7393253 0.76 ITGB3 (0.56) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7330419 0.75 ITGB3 (0.50) ITGB3ITGA2BROCK2ALDH1A1GAA
SCHEMBL7401163 0.75 ITGB3 (0.50) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL8696501 0.74 CYP2C9 (0.49) ITGB3ITGA2BROCK2ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed